methyl 3-(4-methoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: methyl 3-(4-methoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: methyl 3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(4-methoxyphenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-p-anisoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid methyl ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCCC3C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCCC3C(=O)OC

InChI

InChI=1S/C19H21NO4/c1-23-14-8-6-13(7-9-14)18(21)17-11-10-16-15(19(22)24-2)5-3-4-12-20(16)17/h6-11,15H,3-5,12H2,1-2H3